UCSF

ZINC19972578

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 32 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.03 11.7 -74.18 1 6 0 74 436.552 9
Lo Low (pH 4.5-6) 4.03 10.88 -47.94 2 6 1 71 437.56 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )